Details of the Drug

General Information of Drug (ID: DM7GIZL)

• Drug Name: 1-(4-butoxyphenyl)propan-2-amine
• Synonyms: CHEMBL456012; 1-(4-butoxyphenyl)propan-2-amine; BDBM50276774

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 207.31
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H21NO
  IUPAC Name: 1-(4-butoxyphenyl)propan-2-amine
  Canonical SMILES: CCCCOC1=CC=C(C=C1)CC(C)N
  InChI: InChI=1S/C13H21NO/c1-3-4-9-15-13-7-5-12(6-8-13)10-11(2)14/h5-8,11H,3-4,9-10,14H2,1-2H3
  InChIKey: XYGSKZYABPNAKO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 21341306
  TTD ID: D00KQB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Naphthylisopropylamine and N-benzylamphetamine derivatives as monoamine oxidase inhibitors. Bioorg Med Chem. 2009 Mar 15;17(6):2452-60.